SCHEMBL15422809

SCHEMBL15422809

O=C(O)C1CCC(Cc2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.43
PLAT P00750 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK14 Q16539 1/20 0.40
SELL P14151 2/20 0.40
SELP P16109 2/20 0.40
SELE P16581 2/20 0.40
TAS2R14 Q9NYV8 4/20 0.38
VCP P55072 5/20 0.38
CHRM2 P08172 1/20 0.36
ANPEP P15144 1/20 0.36
ENPEP Q07075 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20169303 0.84 CYP2C9 (0.36) CYP2C9CYP2C19MAPK14
SCHEMBL31200244 0.80 PLG (0.40) PLGPLATLMNACYP2C9CYP2C19
SCHEMBL31200363 0.79 TRPM8 (0.39) PLGPLATLMNACYP2C9CYP2C19
SCHEMBL31200293 0.79 PIK3CD (0.35) PLGPLATLMNACYP2C9CYP2C19
SCHEMBL15422804 0.79 ESR1 (0.35) CYP2C9CYP2C19MAPK14
SCHEMBL23365144 0.78 CYP2C9 (0.55) CYP2C9CYP2C19MAPK14
SCHEMBL31200225 0.77 PLG (0.38) PLGPLATLMNACYP2C9CYP2C19
SCHEMBL31200300 0.77 TAS2R14 (0.37) PLGPLATLMNACYP2C9CYP2C19
SCHEMBL3515654 0.75 GBA1 (0.53) PLGPLATLMNACYP2C9CYP2C19
SCHEMBL1662783 0.75 GBA1 (0.53) PLGPLATLMNACYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9605207-B2 Orthoester derivative, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-03-28 US disclosed
EP-2690103-A1 ORTHO ESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2014-01-29 EP disclosed
US-20140021407-A1 ORTHOESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-01-23 US disclosed